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21203-78-1 molecular structure
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2-bromo-6-nitropyridine

ChemBase ID: 67346
Molecular Formular: C5H3BrN2O2
Molecular Mass: 202.99352
Monoisotopic Mass: 201.93778935
SMILES and InChIs

SMILES:
c1(cccc(n1)[N+](=O)[O-])Br
Canonical SMILES:
Brc1cccc(n1)[N+](=O)[O-]
InChI:
InChI=1S/C5H3BrN2O2/c6-4-2-1-3-5(7-4)8(9)10/h1-3H
InChIKey:
JULQLOHNPMMKTH-UHFFFAOYSA-N

Cite this record

CBID:67346 http://www.chembase.cn/molecule-67346.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-6-nitropyridine
IUPAC Traditional name
2-bromo-6-nitropyridine
Synonyms
2-Bromo-6-nitropyridine
CAS Number
21203-78-1
MDL Number
MFCD00234012
PubChem SID
162033081
PubChem CID
1415846

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 1415846 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2642899  LogD (pH = 7.4) 2.2642899 
Log P 2.2642899  Molar Refractivity 39.0001 cm3
Polarizability 14.482051 Å3 Polar Surface Area 56.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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